Molecule FYI-1002702

A

Molecule Summary:

ID: FYI-1002702
Names:
InChIKey: VOIUWSNDKBHZAH-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c(SCCc1ccccc1)c(F)c2NC3CCCCCCC3

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002702 Edit

Molecule Structure InChIKey: VOIUWSNDKBHZAH-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(SCCc1ccccc1)c(F)c2NC3CCCCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002702
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.0814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.7814    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    5.9938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    3.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.5814    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.9814    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.5814    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9236    2.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7760    3.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1639    3.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
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 15 14  2  0  0  0  0
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 18 17  1  0  0  0  0
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 21 20  1  0  0  0  0
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 22  5  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002702-3D
FYIcenter.com

 58 60  0     0  0  0  0  0  0999 V2000
    3.1015    1.9086   -1.1695 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3341    2.4866    2.0128 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2733    0.3410    2.3353 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    4.0205   -1.4855 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558    4.2831   -0.1365 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4684    3.2325   -1.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0409    1.1374   -0.3707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833    0.0471    0.9911 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5965    0.9602   -2.4967 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6796   -1.3430    0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487   -2.2022    1.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7088   -1.6883   -0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9554   -2.5231    1.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1482   -3.0559   -1.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0538    1.2449    1.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7499    3.1148   -0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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  1  9  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
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 26 27  2  0  0  0  0
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 31 58  1  0  0  0  0
M  END
$$$$

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2023-04-25, 377👍, 0💬